REMARK Name = BDB049567 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.773 -1.911 -0.723 0.00 0.00 -0.043 A ATOM 2 C LIG 1 -1.915 -1.647 -1.484 0.00 0.00 +0.006 A ATOM 3 C LIG 1 -2.991 -0.929 -0.941 0.00 0.00 +0.023 A ATOM 4 C LIG 1 -2.973 -0.456 0.374 0.00 0.00 +0.030 A ATOM 5 C LIG 1 -1.824 -0.743 1.129 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -0.744 -1.459 0.598 0.00 0.00 +0.006 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -4.019 0.248 0.947 0.00 0.00 -0.326 N ATOM 8 C LIG 1 -5.388 0.311 0.392 0.00 0.00 +0.085 C ATOM 9 C LIG 1 -6.002 1.500 1.157 0.00 0.00 +0.036 C ATOM 10 C LIG 1 -4.814 2.434 1.334 0.00 0.00 +0.112 C ATOM 11 C LIG 1 -3.687 1.476 1.689 0.00 0.00 +0.117 C BRANCH 10 12 ATOM 12 C LIG 1 -5.005 3.481 2.393 0.00 0.00 +0.394 C ATOM 13 F LIG 1 -5.280 2.939 3.598 0.00 0.00 -0.170 F ATOM 14 F LIG 1 -3.896 4.239 2.527 0.00 0.00 -0.170 F ATOM 15 F LIG 1 -6.026 4.306 2.072 0.00 0.00 -0.170 F ENDBRANCH 10 12 BRANCH 8 16 ATOM 16 C LIG 1 -6.180 -0.966 0.680 0.00 0.00 +0.142 C BRANCH 16 17 ATOM 17 C LIG 1 -6.224 -1.878 -0.509 0.00 0.00 +0.306 C ATOM 18 O LIG 1 -6.283 -1.549 -1.683 0.00 0.00 -0.251 OA BRANCH 17 19 ATOM 19 O LIG 1 -6.276 -3.179 -0.161 0.00 0.00 -0.481 OA ATOM 20 H LIG 1 -6.304 -3.660 -1.014 0.00 0.00 +0.295 HD ENDBRANCH 17 19 ENDBRANCH 16 17 ENDBRANCH 8 16 ENDBRANCH 4 7 BRANCH 1 21 ATOM 21 C LIG 1 0.371 -2.706 -1.311 0.00 0.00 +0.070 C BRANCH 21 26 ATOM 22 C LIG 1 4.330 -0.959 -0.767 0.00 0.00 -0.015 A ATOM 23 C LIG 1 3.417 -0.383 -1.667 0.00 0.00 +0.012 A ATOM 24 C LIG 1 2.135 -0.926 -1.882 0.00 0.00 -0.046 A ATOM 25 C LIG 1 1.214 -0.232 -2.849 0.00 0.00 +0.044 C ATOM 26 C LIG 1 1.742 -2.071 -1.161 0.00 0.00 -0.040 A ATOM 27 C LIG 1 2.655 -2.651 -0.265 0.00 0.00 +0.005 A ATOM 28 C LIG 1 3.927 -2.105 -0.074 0.00 0.00 +0.009 A BRANCH 22 31 ATOM 29 C LIG 1 7.056 1.578 -0.028 0.00 0.00 +0.121 A ATOM 30 C LIG 1 5.797 1.001 -0.233 0.00 0.00 +0.057 A ATOM 31 C LIG 1 5.663 -0.366 -0.553 0.00 0.00 +0.021 A ATOM 32 C LIG 1 6.836 -1.129 -0.655 0.00 0.00 +0.131 A ATOM 33 F LIG 1 6.772 -2.435 -0.960 0.00 0.00 -0.205 F ATOM 34 C LIG 1 8.093 -0.567 -0.454 0.00 0.00 +0.042 A ATOM 35 C LIG 1 8.200 0.786 -0.142 0.00 0.00 +0.048 A BRANCH 29 37 ATOM 36 C LIG 1 6.168 3.737 0.431 0.00 0.00 +0.277 C ATOM 37 O LIG 1 7.299 2.886 0.287 0.00 0.00 -0.495 OA ENDBRANCH 29 37 ENDBRANCH 22 31 ENDBRANCH 21 26 ENDBRANCH 1 21 TORSDOF 9